Geometry & MOs

Info

ID:	35800
PubChem CID:	7980339
Reduced:	NO2C6H7 (3)
Stoich.:	AB2C6D7 (3)
Weight, g/mol:	349.106256
ΔH_f, kcal/mol:	-221.18
Dipole, Da:	7.06
IP(EA), eV:	-8.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-phenoxyacetate

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)COC2=CC=CC=C2)N

DOS

IR

Vibrations